2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine

C13H16F3NO — CID 171714626

IUPAC2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC1CN(c2ccc(C(F)(F)F)cc2)CC(C)O1
InChIInChI=1S/C13H16F3NO/c1-9-7-17(8-10(2)18-9)12-5-3-11(4-6-12)13(14,15)16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyLPYXVUMSMRFCAT-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.32
Rot. Bonds1

About 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine

2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 171714626) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID171714626
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine
SMILESCC1CN(c2ccc(C(F)(F)F)cc2)CC(C)O1
InChIInChI=1S/C13H16F3NO/c1-9-7-17(8-10(2)18-9)12-5-3-11(4-6-12)13(14,15)16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyLPYXVUMSMRFCAT-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine (CID 171714626) is 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine is CC1CN(c2ccc(C(F)(F)F)cc2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is LPYXVUMSMRFCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-9-7-17(8-10(2)18-9)12-5-3-11(4-6-12)13(14,15)16/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine?
2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 259.27 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 171714626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).